FDA-ZINC08101059 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 88 0 0 1 0 0 0 0 0999 V2000 0.0280 0.8130 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.7050 0.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4340 -1.1210 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.1100 1.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8870 -0.6870 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -0.5480 0.9690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8880 -0.9570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 0.9870 0.9050 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4610 1.3990 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.4570 -0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7090 1.1930 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 2.9080 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 3.6850 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 3.2360 -2.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 5.1920 -0.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3660 5.4180 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 5.6030 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 7.0540 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 5.9320 -1.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 1.4950 2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 2.0040 2.9360 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1750 1.4580 2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 1.8460 4.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7560 0.7960 4.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 2.4420 5.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9950 1.8440 5.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 3.9060 4.8540 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1890 4.3080 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 4.0270 3.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4250 3.5260 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 3.3940 2.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 5.5080 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 5.6760 1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 5.0690 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 4.6790 5.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 4.2880 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 2.5790 4.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 2.2740 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5110 -0.9460 1.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5450 -1.9220 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -2.5420 1.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -3.0020 2.6660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2570 -2.6220 3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.5370 2.6650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6400 -4.9650 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -5.0110 3.9640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5980 -4.7060 4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -4.4090 4.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8920 -4.7290 5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -2.8760 4.0150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6890 -2.5110 4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -2.4920 2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -2.1990 4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -4.8990 3.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -4.9320 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -6.4320 3.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -6.6920 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -4.9950 1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.7980 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 1.0920 -0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 1.2070 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 3.3390 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 4.9580 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 5.4630 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 7.7560 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 7.2630 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 5.3110 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 5.9850 3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 6.0560 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -2.4020 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -2.5760 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 7.3190 -0.0140 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1010 8.2550 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 7.2350 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 6.6350 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.4270 6.7030 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4150 2.7430 7.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 1.5090 7.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 3.0970 6.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -0.7440 4.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -0.3350 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -0.3430 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -1.3050 0.5650 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.8000 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -2.0330 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -0.6330 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 83 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 62 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 18 72 1 0 0 0 0 19 67 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 76 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 35 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 52 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 58 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 56 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48 54 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 53 70 1 0 0 0 0 53 71 1 0 0 0 0 53 80 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 58 59 1 0 0 0 0 72 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 76 77 1 0 0 0 0 76 78 1 0 0 0 0 76 79 1 0 0 0 0 80 81 1 0 0 0 0 80 82 1 0 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 83 86 1 0 0 0 0 M CHG 1 72 1 M CHG 1 76 1 M CHG 1 83 1 M END